2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid

C20H20F3NO4S — CID 171356961

IUPAC2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H20F3NO4S/c21-20(22,23)15-8-11-18(17(12-15)19(25)26)24-29(27,28)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,24H,1-5H2,(H,25,26)
InChIKeyFEKBJSQKYKTCID-UHFFFAOYSA-N
MW427.44 g/mol
LogP5.25
Rot. Bonds5

About 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid

2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid (PubChem CID 171356961) has the molecular formula C20H20F3NO4S and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
PubChem CID171356961
Molecular FormulaC20H20F3NO4S
Molecular Weight427.44 g/mol
Exact Mass427.11
IUPAC Name2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H20F3NO4S/c21-20(22,23)15-8-11-18(17(12-15)19(25)26)24-29(27,28)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,24H,1-5H2,(H,25,26)
InChIKeyFEKBJSQKYKTCID-UHFFFAOYSA-N
XLogP5.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114806531
4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 7939033
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 17458180
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
CID 175931825
5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054754
4-cyclohexyl-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7940687
2-(thiolan-2-ylmethylamino)-5-(trifluoromethyl)benzoic acid
CID 80585375
2-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63510359
2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
CID 60661371
2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid (CID 171356961) is 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid?
The InChIKey is FEKBJSQKYKTCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4S/c21-20(22,23)15-8-11-18(17(12-15)19(25)26)24-29(27,28)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,24H,1-5H2,(H,25,26).
What are the key properties of 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid?
2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid has a molecular weight of 427.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 171356961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).